cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide

C105H124Cl3F3N18O8 — CID 167688517

IUPACcis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide
SMILESCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nnn(C(C)C)c4c3)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3ccc4ncn(C(C)C)c4n3)c(Cl)cn2)C1.CC(C)c1c2cc(-c3cc(NC(=O)[C@H]4CCC[C@@H](CC(=O)C56CC(C5)C6)C4)ncc3Cl)cc(F)c2nn1C.CCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(C3=CC4C(N=CN4C(C)C)C(F)=C3)c(C)cn2)C1
InChIInChI=1S/C30H34ClFN4O2.C27H35FN4O2.C24H27ClFN5O2.C24H28ClN5O2/c1-16(2)28-22-9-20(10-24(32)27(22)35-36(28)3)21-11-26(33-15-23(21)31)34-29(38)19-6-4-5-17(7-19)8-25(37)30-12-18(13-30)14-30;1-5-21(33)10-18-7-6-8-19(9-18)27(34)31-25-13-22(17(4)14-29-25)20-11-23(28)26-24(12-20)32(15-30-26)16(2)3;1-13(2)31-21-10-17(9-20(26)23(21)29-30-31)18-11-22(27-12-19(18)25)28-24(33)16-6-4-5-15(8-16)7-14(3)32;1-14(2)30-13-27-21-8-7-20(28-23(21)30)18-11-22(26-12-19(18)25)29-24(32)17-6-4-5-16(10-17)9-15(3)31/h9-11,15-19H,4-8,12-14H2,1-3H3,(H,33,34,38);11-16,18-19,24,26H,5-10H2,1-4H3,(H,29,31,34);9-13,15-16H,4-8H2,1-3H3,(H,27,28,33);7-8,11-14,16-17H,4-6,9-10H2,1-3H3,(H,26,29,32)/t17-,18?,19+,30?;18-,19+,24?,26?;15-,16-;16-,17-/m1100/s1
InChIKeyWOOYSNFGFWJXNC-KCPUJBSBSA-N
MW1929.62 g/mol
LogP23.34
Rot. Bonds26

About cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide

cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide (PubChem CID 167688517) has the molecular formula C105H124Cl3F3N18O8 and a molecular weight of 1929.62 g/mol. Its IUPAC name is cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide
PubChem CID167688517
Molecular FormulaC105H124Cl3F3N18O8
Molecular Weight1929.62 g/mol
Exact Mass1926.89
IUPAC Namecis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide
SMILESCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nnn(C(C)C)c4c3)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3ccc4ncn(C(C)C)c4n3)c(Cl)cn2)C1.CC(C)c1c2cc(-c3cc(NC(=O)[C@H]4CCC[C@@H](CC(=O)C56CC(C5)C6)C4)ncc3Cl)cc(F)c2nn1C.CCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(C3=CC4C(N=CN4C(C)C)C(F)=C3)c(C)cn2)C1
InChIInChI=1S/C30H34ClFN4O2.C27H35FN4O2.C24H27ClFN5O2.C24H28ClN5O2/c1-16(2)28-22-9-20(10-24(32)27(22)35-36(28)3)21-11-26(33-15-23(21)31)34-29(38)19-6-4-5-17(7-19)8-25(37)30-12-18(13-30)14-30;1-5-21(33)10-18-7-6-8-19(9-18)27(34)31-25-13-22(17(4)14-29-25)20-11-23(28)26-24(12-20)32(15-30-26)16(2)3;1-13(2)31-21-10-17(9-20(26)23(21)29-30-31)18-11-22(27-12-19(18)25)28-24(33)16-6-4-5-15(8-16)7-14(3)32;1-14(2)30-13-27-21-8-7-20(28-23(21)30)18-11-22(26-12-19(18)25)29-24(32)17-6-4-5-16(10-17)9-15(3)31/h9-11,15-19H,4-8,12-14H2,1-3H3,(H,33,34,38);11-16,18-19,24,26H,5-10H2,1-4H3,(H,29,31,34);9-13,15-16H,4-8H2,1-3H3,(H,27,28,33);7-8,11-14,16-17H,4-6,9-10H2,1-3H3,(H,26,29,32)/t17-,18?,19+,30?;18-,19+,24?,26?;15-,16-;16-,17-/m1100/s1
InChIKeyWOOYSNFGFWJXNC-KCPUJBSBSA-N
XLogP23.34
TPSA331.08 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001929.62
LogP ≤ 523.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

5-[2-[(1S)-1-[[2-(6-chloro-5-fluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-2-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158597748
trans-(1S,3R)-1-[[(1S,3R)-3-acetamidocyclohexanecarbonyl]amino]-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(dimethylcarbamoylamino)-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide
CID 166060492
3-[1-[[4-[4-[6-[4-(2-Fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione
CID 168881793
3-[2-[[4-[4-[6-[4-(2-Fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione
CID 168882637
3-[2-[[4-[4-[6-[4-(2-Fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione
CID 169833817
3-[7-[4-[2-[4-[4-[[5-(2,4-Difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclohexyl]ethyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 171820976
3-[7-[4-[2-[4-[4-[[5-(2,4-Difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 171821062
(3R)-3-[1-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione
CID 175902585
(3R)-3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione
CID 176095255
(3R)-3-[2-[[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]cyclohexyl]methyl]indazol-5-yl]piperidine-2,6-dione
CID 176095398
(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(5-methylpyridazin-3-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-6,9a-dimethyl-3-(4-methylphenyl)-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-[(4-chlorophenyl)methyl]-6,9a-dimethyl-7-oxo-2-(4-propan-2-ylphenyl)-4,5,5a,6-tetrahydrobenzo[e]benzimidazole-8-carboxamide;(5aR,6R,9aS)-1-[5-[2-(fluoromethyl)-4-pyridinyl]-2-pyridinyl]-6,9a-dimethyl-7-oxo-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide;(5aR,6R,9aS)-3-(2-fluorophenyl)-6,9a-dimethyl-1-[4-(6-methylpyridazin-4-yl)phenyl]-7-oxo-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carboxamide
CID 157077960
3-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-methyl-N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 157388448

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide (CID 167688517) is cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide is CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nnn(C(C)C)c4c3)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3ccc4ncn(C(C)C)c4n3)c(Cl)cn2)C1.CC(C)c1c2cc(-c3cc(NC(=O)[C@H]4CCC[C@@H](CC(=O)C56CC(C5)C6)C4)ncc3Cl)cc(F)c2nn1C.CCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(C3=CC4C(N=CN4C(C)C)C(F)=C3)c(C)cn2)C1.
What is the InChIKey of cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide?
The InChIKey is WOOYSNFGFWJXNC-KCPUJBSBSA-N. The full InChI is InChI=1S/C30H34ClFN4O2.C27H35FN4O2.C24H27ClFN5O2.C24H28ClN5O2/c1-16(2)28-22-9-20(10-24(32)27(22)35-36(28)3)21-11-26(33-15-23(21)31)34-29(38)19-6-4-5-17(7-19)8-25(37)30-12-18(13-30)14-30;1-5-21(33)10-18-7-6-8-19(9-18)27(34)31-25-13-22(17(4)14-29-25)20-11-23(28)26-24(12-20)32(15-30-26)16(2)3;1-13(2)31-21-10-17(9-20(26)23(21)29-30-31)18-11-22(27-12-19(18)25)28-24(33)16-6-4-5-15(8-16)7-14(3)32;1-14(2)30-13-27-21-8-7-20(28-23(21)30)18-11-22(26-12-19(18)25)29-24(32)17-6-4-5-16(10-17)9-15(3)31/h9-11,15-19H,4-8,12-14H2,1-3H3,(H,33,34,38);11-16,18-19,24,26H,5-10H2,1-4H3,(H,29,31,34);9-13,15-16H,4-8H2,1-3H3,(H,27,28,33);7-8,11-14,16-17H,4-6,9-10H2,1-3H3,(H,26,29,32)/t17-,18?,19+,30?;18-,19+,24?,26?;15-,16-;16-,17-/m1100/s1.
What are the key properties of cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide?
cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide has a molecular weight of 1929.62 g/mol, XLogP of 23.34, 26 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 167688517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).